1-(4-Fluorophenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid - CAS 915921-31-2
Catalog: |
BB065049 |
Product Name: |
1-(4-Fluorophenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid |
CAS: |
915921-31-2 |
Synonyms: |
1-(4-FLUOROPHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID; 1-(4-Fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid; 1-(4-Fluorophenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid |
IUPAC Name: | 1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid |
Description: | 1-(4-Fluorophenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid is used as a reagent in the synthesis of a new class of 7-azaindole analogs of MK-7246 (M425045) as potent and selective CRTH2 antagonists for the treatment of respiratory diseases. |
Molecular Weight: | 208.23 |
Molecular Formula: | C12H13FO2 |
Canonical SMILES: | CC1(CC1(C2=CC=C(C=C2)F)C(=O)O)C |
InChI: | InChI=1S/C12H13FO2/c1-11(2)7-12(11,10(14)15)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15) |
InChI Key: | RIOYANNPRFBSNF-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08995782 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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